pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1cn2c([nH+]1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)CC2,O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)[nH+]c1)CC2	O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)CC2	mol16166	O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)nc1)CC2